In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 22 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -1.42 | 0.64 | -22.42 | 3 | 8 | 0 | 114 | 321.724 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.96 | -0.99 | -52.16 | 2 | 8 | -1 | 117 | 320.716 | 2 | ↓ |
Lo Low (pH 4.5-6) | -1.42 | 1.09 | -47.78 | 4 | 8 | 1 | 115 | 322.732 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.